5-ethyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane

Systemtic Name: 5-ethyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane Openeye Name: 5-ethyl-5-nitro-2-(p-tolyl)-1,3-dioxane CAS Name: 5-ethyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane IUPAC Name: 5-ethyl-2-(4-methylphenyl)-5-nitro-1,3-dioxane Traditional Name: 5-ethyl-5-nitro-2-(p-tolyl)-1,3-dioxane Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC(OC1)C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC1(COC(OC1)C2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-3-13(14(15)16)8-17-12(18-9-13)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3